CID 63644827

1340309-12-7

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)C(C(=O)O)N1C(=O)CCC1=O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)8(9(14)15)11-6(12)4-5-7(11)13/h8H,4-5H2,1-3H3,(H,14,15)
InChIKey
TWERTHBZLGFCII-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 145.8
[M+Na]+ 236.089328 152.7
[M-H]- 212.092834 146.8
[M+NH4]+ 231.133933 164.4
[M+K]+ 252.063268 151.9
[M+H-H2O]+ 196.097370 141.0
[M+HCOO]- 258.098311 162.9
[M+CH3COO]- 272.113961 184.5
[M+Na-2H]- 234.074776 146.3
[M]+ 213.09956142 145.2
[M]- 213.10065858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe